Project name: SH3_Y93M

Status: done

submitted: 2019-03-14 18:58:56, status changed: 2019-03-14 19:40:22
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93M
Energy difference between WT (input) and mutated protein (by FoldX) 2.1349 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.1034
Maximal score value
1.7964
Average score
-0.9669
Total score value
-55.1108

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
85 T A 0.5173
86 L A 0.7932
87 F A 0.9287
88 V A 0.4372
89 A A 0.0000
90 L A -0.1463
91 Y A -0.5796
92 D A -2.5826
93 M A -1.9829 mutated: YA93M
94 E A -2.6741
95 A A -2.6413
96 R A -2.9919
97 T A -2.6608
98 E A -3.1034
99 D A -3.0446
100 D A 0.0000
101 L A 0.0000
102 S A -2.2261
103 F A 0.0000
104 H A -2.7442
105 K A -2.4114
106 G A -1.4599
107 E A -1.3105
108 K A -0.6440
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0573
112 L A 0.1425
113 N A -0.8990
114 S A -1.1958
115 S A -1.6071
116 E A -2.5762
117 G A -2.1604
118 D A -2.4810
119 W A -1.1684
120 W A -1.0921
121 E A -1.1713
122 A A 0.0000
123 R A -1.7161
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.6937
131 G A -1.5095
132 Y A -0.8922
133 I A 0.0000
134 P A 0.0000
135 S A -0.9281
136 N A -1.1379
137 Y A -0.0952
138 V A 0.0000
139 A A 0.4254
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015